CID 10947217

Chlorohyellazole

Structural Information

Molecular Formula
C20H16ClNO
SMILES
CC1=C(C=C2C3=C(C=CC(=C3)Cl)NC2=C1C4=CC=CC=C4)OC
InChI
InChI=1S/C20H16ClNO/c1-12-18(23-2)11-16-15-10-14(21)8-9-17(15)22-20(16)19(12)13-6-4-3-5-7-13/h3-11,22H,1-2H3
InChIKey
ZIOOMUSPLCJTQR-UHFFFAOYSA-N
Compound name
6-chloro-3-methoxy-2-methyl-1-phenyl-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.09204 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09932 175.3
[M+Na]+ 344.08126 187.9
[M-H]- 320.08476 182.3
[M+NH4]+ 339.12586 193.0
[M+K]+ 360.05520 179.3
[M+H-H2O]+ 304.08930 167.8
[M+HCOO]- 366.09024 192.0
[M+CH3COO]- 380.10589 187.6
[M+Na-2H]- 342.06671 179.4
[M]+ 321.09149 180.5
[M]- 321.09259 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.